Monte Carlo modeling of carbon dioxide adsorption in porous aromatic frameworks

von Fraccarollo, Alberto
Veröffentlicht in: Langmuir : the ACS journal of surfaces and colloids (2014)

Theoretical prediction of high pressure methane adsorption in porous aromatic frameworks (PAFs)

von Cossi, Maurizio
Veröffentlicht in: Langmuir : the ACS journal of surfaces and colloids (2012)

Sulfonamide antibiotics embedded in high silica zeolite Y a combined experimental and theoretical study of host-guest and guest-guest interactions

von Braschi, Ilaria
Veröffentlicht in: Langmuir : the ACS journal of surfaces and colloids (2010)

Building cavities in a fluid of spherical or rod-like particles a contribution to the solvation free energy in isotropic and anisotropic polarizable continuum model

von Benzi, Caterina
Veröffentlicht in: Journal of computational chemistry (2005)

Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model

von Cossi, Maurizio
Veröffentlicht in: Journal of computational chemistry (2003)